N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine

C14H15Cl2N3 — CID 80664458

IUPACN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCc1cc(Cl)nc(CN(C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15Cl2N3/c1-10-7-13(16)18-14(17-10)9-19(2)8-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3
InChIKeyVAHGDKQXOVHDDK-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.72
Rot. Bonds4

About N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine (PubChem CID 80664458) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
PubChem CID80664458
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC NameN-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
SMILESCc1cc(Cl)nc(CN(C)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15Cl2N3/c1-10-7-13(16)18-14(17-10)9-19(2)8-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3
InChIKeyVAHGDKQXOVHDDK-UHFFFAOYSA-N
XLogP3.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 80663541
2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80657866
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 80664231
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methylazetidin-3-amine
CID 80664747
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
4-N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 80657500
4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 113221848
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(2-methoxyethyl)propan-2-amine
CID 82951094
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-cyclopropyl-N-(cyclopropylmethyl)methanamine
CID 80663537
[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine
CID 80727351

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine?
The IUPAC name of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine (CID 80664458) is N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine is Cc1cc(Cl)nc(CN(C)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine?
The InChIKey is VAHGDKQXOVHDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-10-7-13(16)18-14(17-10)9-19(2)8-11-3-5-12(15)6-4-11/h3-7H,8-9H2,1-2H3.
What are the key properties of N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine?
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine has a molecular weight of 296.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 80664458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).